SCHEMBL9416658

SCHEMBL9416658

COc1cc(CN(Cc2ccc(OC)c(OCc3ccccc3)c2)C(C)=O)ccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
BLM P54132 1/20 0.61
MTNR1A P48039 2/20 0.61
MTNR1B P49286 2/20 0.61
APP P05067 1/20 0.61
TRPM8 Q7Z2W7 1/20 0.58
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
RAF1 P04049 3/20 0.56
MAP2K1 Q02750 3/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9416643 0.83 KDM4E (0.81) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL9416623 0.81 HTT (0.61) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL9080604 0.81 MEN1 (0.60) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL9416662 0.81 HTT (0.61) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL10730593 0.80 SMPD1 (0.60) MEN1KMT2AMTNR1AMTNR1BAPP
SCHEMBL10731769 0.80 MTNR1A (0.64) MEN1KMT2AKDM4EMTNR1AMTNR1B
SCHEMBL5122218 0.80 TRPM8 (0.61) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL14078347 0.80 TRPM8 (0.69) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL14610517 0.79 TRPM8 (0.68) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL5186458 0.79 MEN1 (0.55) MEN1KMT2AKDM4ECYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613879-A1 PHELLODENDRINE ANALOGS AND ALLERGY TYPE IV SUPPRESSOR CONTAINING THE SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1994-09-07 EP disclosed